Convert gmx_update_t to C++

[alexxy/gromacs.git] / src / gromacs / mdlib / sim_util.cpp

diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp
index 9c381d555932002f634af6a17c96457b9395cd67..c18287aad0f430c9f22bca64d15ba4ee7c64372c 100644 (file)
--- a/src/gromacs/mdlib/sim_util.cpp
+++ b/src/gromacs/mdlib/sim_util.cpp
@@ -2938,8 +2938,7 @@ void init_md(FILE *fplog,
              double *t, double *t0,
              t_state *globalState, double *lam0,
              t_nrnb *nrnb, gmx_mtop_t *mtop,
-             gmx_update_t **upd,
-             gmx::BoxDeformation *deform,
+             gmx::Update *upd,
              int nfile, const t_filenm fnm[],
              gmx_mdoutf_t *outf, t_mdebin **mdebin,
              tensor force_vir, tensor shake_vir,
@@ -2978,14 +2977,9 @@ void init_md(FILE *fplog,
         initialize_lambdas(fplog, ir, &tmpFepState, tmpLambda, lam0);
     }
 
-    // TODO upd is never NULL in practice, but the analysers don't know that
-    if (upd)
-    {
-        *upd = init_update(ir, deform);
-    }
     if (*bSimAnn)
     {
-        update_annealing_target_temp(ir, ir->init_t, upd ? *upd : nullptr);
+        update_annealing_target_temp(ir, ir->init_t, upd);
     }
 
     if (EI_DYNAMICS(ir->eI) && !mdrunOptions.continuationOptions.appendFiles)